4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide

C24H27N5O — CID 95806424

IUPAC4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CCc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N5O/c25-23(30)19-10-8-18(9-11-19)21-15-27-24(26)28-22(21)20-7-4-13-29(16-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,15,20H,4,7,12-14,16H2,(H2,25,30)(H2,26,27,28)/t20-/m0/s1
InChIKeyQDZFAKKGSDMSCP-FQEVSTJZSA-N
MW401.51 g/mol
LogP3.25
Rot. Bonds6

About 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide

4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide (PubChem CID 95806424) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
PubChem CID95806424
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CCc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N5O/c25-23(30)19-10-8-18(9-11-19)21-15-27-24(26)28-22(21)20-7-4-13-29(16-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,15,20H,4,7,12-14,16H2,(H2,25,30)(H2,26,27,28)/t20-/m0/s1
InChIKeyQDZFAKKGSDMSCP-FQEVSTJZSA-N
XLogP3.25
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(dimethylamino)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618063
4-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248794
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806446
4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248773
5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248785
3-[2-amino-4-[(3R)-1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95816721
3-[2-amino-4-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110254010
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[2-amino-4-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806633
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide (CID 95806424) is 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(CCc3ccccc3)C2)cc1.
What is the InChIKey of 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The InChIKey is QDZFAKKGSDMSCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N5O/c25-23(30)19-10-8-18(9-11-19)21-15-27-24(26)28-22(21)20-7-4-13-29(16-20)14-12-17-5-2-1-3-6-17/h1-3,5-6,8-11,15,20H,4,7,12-14,16H2,(H2,25,30)(H2,26,27,28)/t20-/m0/s1.
What are the key properties of 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 95806424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).